Scientific Program

Research interests: correlation of macroscopic material properties and function with molecular structure and dynamics, particularly in heterogeneous macromolecular solids. Development and application of NMR methods for characterizing structure, dynamics, adsorption, transport, and reaction properties of new solid-state materials.

Research interests: materials for energy storage and conversion and in the effect of interfacial chemistry on the functionality of electrode and electrolyte materials, using a wide range of magnetic resonance techniques: solid-state NMR, EPR and DNP. In addition we employ common materials science characterization tools, including electron microscopy, X-ray diffraction and X-ray photoelectron spectroscopy.

Research interests: structural characterization of nano crystalline materials. As a major tool we use transmission electron microscopy mainly collecting electron diffraction data sampling the three dimensional diffraction space. For this purpose we developed in 2007 the method automated diffraction tomography (ADT). It is applicable to a wide range of TEMs with different equipment and origin. Here we provide a short history and basic description of the method, a series of application cases together with hints how to access special crystallographic questions as well as a description of the data processing programs ADT3D and eADT.

Research interests: Three-dimensional electron diffraction (3DED) applied in the structural elucidation of nanoporous materials, advancing knowledge on structure-property relationships. The group is actively developing new 3DED techniques to reveal more details of functional materials, in particular metal-organic frameworks (MOFs). An important advantage of MOFs is the possibility to easily and systematically design and alter the structure and functionality at a molecular level. We are exploring the versatile structures of MOFs, as well as the closely associated properties, in view of applications in heterogeneous catalysis.

Research interests: Development of advanced deep learning models to simulate the operation principles of electrochemical energy materials, interfaces, components and full devices (batteries, fuel cells, electrolyzers...) as well as their manufacturing. Such multiscale models decribe mechanisms along different spatio-temporal scales. Their goal is to provide interpretation of experimental data, to optimize electrochemical energy devices and to provide advanced design guidelines.

Research interests: Vice President of IBM Europe and Africa and Director of the IBM Research Lab in Zurich, Switzerland. Dr. Curioni is an internationally recognized leader in the area of high-performance computing and computational science, where his innovative thinking and seminal contributions have helped solve some of the most complex scientific and technological problems in healthcare, aerospace, consumer goods and electronics. He was a member of the winning team recognized with the prestigious Gordon Bell Prize in 2013 and 2015. His research interests now include AI, Big Data and novel compute paradigms, such as neuromorphic and quantum computing.

Research interests: use of ab initio methods and neural network potentials to model the structure, reactivity, and dynamics of zeolites under operando conditions, and explore their impact on NMR spectroscopy.